ethyl 4-[(4-chlorophenyl)methyl]-1-[(4-methylsulfanylphenyl)carbamoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(4-methylsulfanylphenyl)carbamoyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(4-methylsulfanylphenyl)carbamoyl]piperidine-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[[4-(methylthio)anilino]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(4-methylsulfanylphenyl)carbamoyl]piperidine-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-[[4-(methylthio)phenyl]carbamoyl]isonipecotic acid ethyl ester Formula: C23H27ClN2O3S MolecularWeight: 446.99008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC=C(C=C2)SC)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC=C(C=C2)SC)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN2O3S/c1-3-29-21(27)23(16-17-4-6-18(24)7-5-17)12-14-26(15-13-23)22(28)25-19-8-10-20(30-2)11-9-19/h4-11H,3,12-16H2,1-2H3,(H,25,28)